N-[2-(3-bromophenoxy)ethyl]-2-(3,4-dimethoxyphenyl)-N-methylethanamine

C19H24BrNO3 — CID 55356635

IUPACN-[2-(3-bromophenoxy)ethyl]-2-(3,4-dimethoxyphenyl)-N-methylethanamine
SMILESCOc1ccc(CCN(C)CCOc2cccc(Br)c2)cc1OC
InChIInChI=1S/C19H24BrNO3/c1-21(11-12-24-17-6-4-5-16(20)14-17)10-9-15-7-8-18(22-2)19(13-15)23-3/h4-8,13-14H,9-12H2,1-3H3
InChIKeySQDMATJHLUKMMJ-UHFFFAOYSA-N
MW394.31 g/mol
LogP4.02
Rot. Bonds9

About N-[2-(3-bromophenoxy)ethyl]-2-(3,4-dimethoxyphenyl)-N-methylethanamine

N-[2-(3-bromophenoxy)ethyl]-2-(3,4-dimethoxyphenyl)-N-methylethanamine (PubChem CID 55356635) has the molecular formula C19H24BrNO3 and a molecular weight of 394.31 g/mol. Its IUPAC name is N-[2-(3-bromophenoxy)ethyl]-2-(3,4-dimethoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound NameN-[2-(3-bromophenoxy)ethyl]-2-(3,4-dimethoxyphenyl)-N-methylethanamine
PubChem CID55356635
Molecular FormulaC19H24BrNO3
Molecular Weight394.31 g/mol
Exact Mass393.09
IUPAC NameN-[2-(3-bromophenoxy)ethyl]-2-(3,4-dimethoxyphenyl)-N-methylethanamine
SMILESCOc1ccc(CCN(C)CCOc2cccc(Br)c2)cc1OC
InChIInChI=1S/C19H24BrNO3/c1-21(11-12-24-17-6-4-5-16(20)14-17)10-9-15-7-8-18(22-2)19(13-15)23-3/h4-8,13-14H,9-12H2,1-3H3
InChIKeySQDMATJHLUKMMJ-UHFFFAOYSA-N
XLogP4.02
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.31
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(bromomethyl)-1-[2-(3-bromophenoxy)ethoxy]-2-methoxybenzene
CID 63535512
2-(3,4-dimethoxyphenyl)-N-ethyl-N-methylethanamine
CID 18789952
2-(3,4-dimethoxyphenyl)-N-methyl-N-[2-(4-nitrophenoxy)ethyl]ethanamine
CID 18789949
(2S)-1-(3-bromophenoxy)-3-[(3,4-dimethoxyphenyl)methyl-methylamino]propan-2-ol
CID 26009134
1-(3-bromophenoxy)-3-[(3,4-dimethoxyphenyl)methyl-methylamino]propan-2-ol
CID 17479987
3-[2-(3-bromophenoxy)ethyl-methylamino]-N'-hydroxypropanimidamide
CID 54971448
1-[2-(3-bromophenoxy)ethyl]-2-[(3,4-dimethoxyphenyl)methyl]guanidine
CID 111078185
1-[2-(3-bromophenoxy)ethyl-methylamino]propan-2-ol
CID 55061080
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-N',N'-diphenylpropane-1,3-diamine
CID 54241094
methyl 4-[2-(3-bromophenoxy)ethyl-methylamino]butanoate
CID 62012123
3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propane-1-thiol
CID 115225219
2-[2-(3-bromophenoxy)ethyl-methylamino]acetic acid
CID 43442338

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenoxy)ethyl]-2-(3,4-dimethoxyphenyl)-N-methylethanamine?
The IUPAC name of N-[2-(3-bromophenoxy)ethyl]-2-(3,4-dimethoxyphenyl)-N-methylethanamine (CID 55356635) is N-[2-(3-bromophenoxy)ethyl]-2-(3,4-dimethoxyphenyl)-N-methylethanamine.
What is the SMILES notation for N-[2-(3-bromophenoxy)ethyl]-2-(3,4-dimethoxyphenyl)-N-methylethanamine?
The canonical SMILES for N-[2-(3-bromophenoxy)ethyl]-2-(3,4-dimethoxyphenyl)-N-methylethanamine is COc1ccc(CCN(C)CCOc2cccc(Br)c2)cc1OC.
What is the InChIKey of N-[2-(3-bromophenoxy)ethyl]-2-(3,4-dimethoxyphenyl)-N-methylethanamine?
The InChIKey is SQDMATJHLUKMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrNO3/c1-21(11-12-24-17-6-4-5-16(20)14-17)10-9-15-7-8-18(22-2)19(13-15)23-3/h4-8,13-14H,9-12H2,1-3H3.
What are the key properties of N-[2-(3-bromophenoxy)ethyl]-2-(3,4-dimethoxyphenyl)-N-methylethanamine?
N-[2-(3-bromophenoxy)ethyl]-2-(3,4-dimethoxyphenyl)-N-methylethanamine has a molecular weight of 394.31 g/mol, XLogP of 4.02, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenoxy)ethyl]-2-(3,4-dimethoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 55356635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).